- InChI
- InChI=1S/C9H14O2/c1-3-5-6-7-9(10)11-8-4-2/h3,5-7H,4,8H2,1-2H3/b5-3+,7-6+
- InChI Key
- JAVXBQKCKGHZHM-TWTPFVCWSA-N
- Formula
- C9H14O2
- SMILES
- CC=CC=CC(=O)OCCC
- Molecular Weight1
- 154.21
- CAS
- 88973-62-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4587 | Relay (... Calculated Property | |
| ΔfG° | -48.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.82 | eV | Relay (... Calculated Property |
| log10WS | -2.80 | Relay (... Calculated Property | |
| logPoct/wat | 2.072 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 2679.08 | kPa | Joback Calculated Property |
| Inp | 1366.00 | NIST | |
| Tboil | 456.71 | K | Relay (... Calculated Property |
| Tc | 638.99 | K | Relay (... Calculated Property |
| Tfus | 285.73 | K | Relay (... Calculated Property |
| Vc | 0.481 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.90; 355.33] | J/mol×K | [489.93; 679.85] | 
|
| Cp,gas | 288.90 | J/mol×K | 489.93 | Joback Calculated Property |
| Cp,gas | 301.42 | J/mol×K | 521.58 | Joback Calculated Property |
| Cp,gas | 313.33 | J/mol×K | 553.24 | Joback Calculated Property |
| Cp,gas | 324.65 | J/mol×K | 584.89 | Joback Calculated Property |
| Cp,gas | 335.41 | J/mol×K | 616.54 | Joback Calculated Property |
| Cp,gas | 345.63 | J/mol×K | 648.20 | Joback Calculated Property |
| Cp,gas | 355.33 | J/mol×K | 679.85 | Joback Calculated Property |
| η | [0.0001690; 0.0028409] | Pa×s | [253.19; 489.93] |
|
| η | 0.0028409 | Pa×s | 253.19 | Joback Calculated Property |
| η | 0.0012927 | Pa×s | 292.65 | Joback Calculated Property |
| η | 0.0007092 | Pa×s | 332.10 | Joback Calculated Property |
| η | 0.0004420 | Pa×s | 371.56 | Joback Calculated Property |
| η | 0.0003017 | Pa×s | 411.02 | Joback Calculated Property |
| η | 0.0002201 | Pa×s | 450.47 | Joback Calculated Property |
| η | 0.0001690 | Pa×s | 489.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl 2,4-hexadienecarboxylate.
Sources
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